2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

C14H17ClF4N2O — CID 165142036

IUPAC2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2cccc(F)c2)C1.Cl
InChIInChI=1S/C14H16F4N2O.ClH/c1-20(13(21)14(16,17)18)11-5-6-19-12(8-11)9-3-2-4-10(15)7-9;/h2-4,7,11-12,19H,5-6,8H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyJPGCRYFFBOGFPC-LYCTWNKOSA-N
MW340.75 g/mol
LogP3.06
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (PubChem CID 165142036) has the molecular formula C14H17ClF4N2O and a molecular weight of 340.75 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
PubChem CID165142036
Molecular FormulaC14H17ClF4N2O
Molecular Weight340.75 g/mol
Exact Mass340.10
IUPAC Name2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2cccc(F)c2)C1.Cl
InChIInChI=1S/C14H16F4N2O.ClH/c1-20(13(21)14(16,17)18)11-5-6-19-12(8-11)9-3-2-4-10(15)7-9;/h2-4,7,11-12,19H,5-6,8H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyJPGCRYFFBOGFPC-LYCTWNKOSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (CID 165142036) is 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is CN(C(=O)C(F)(F)F)[C@@H]1CCN[C@H](c2cccc(F)c2)C1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The InChIKey is JPGCRYFFBOGFPC-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H16F4N2O.ClH/c1-20(13(21)14(16,17)18)11-5-6-19-12(8-11)9-3-2-4-10(15)7-9;/h2-4,7,11-12,19H,5-6,8H2,1H3;1H/t11-,12+;/m1./s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride has a molecular weight of 340.75 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 165142036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).